(1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C17H18Cl3N — CID 13408732

IUPAC(1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)c2ccccc21.Cl
InChIInChI=1S/C17H17Cl2N.ClH/c1-20-17-9-8-13(12-4-2-3-5-15(12)17)14-7-6-11(18)10-16(14)19;/h2-7,10,13,17,20H,8-9H2,1H3;1H/t13-,17-;/m1./s1
InChIKeyWLJRSPZEWYZFIZ-UFIUYGHPSA-N
MW342.70 g/mol
LogP5.60
Rot. Bonds2

About (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

(1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 13408732) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID13408732
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC Name(1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)c2ccccc21.Cl
InChIInChI=1S/C17H17Cl2N.ClH/c1-20-17-9-8-13(12-4-2-3-5-15(12)17)14-7-6-11(18)10-16(14)19;/h2-7,10,13,17,20H,8-9H2,1H3;1H/t13-,17-;/m1./s1
InChIKeyWLJRSPZEWYZFIZ-UFIUYGHPSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54581800
(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 76969208
(1S,4R)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408706
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408687
(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;methanol;hydrochloride
CID 69478008
(1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 175666140
(4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54133361
(1R,4S)-4-(4-chloro-3-methylphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;ethane
CID 143552734
(1R,4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54580784
(1R,4S)-4-(4-bromophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 18600609
(1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 125481378

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 13408732) is (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)c2ccccc21.Cl.
What is the InChIKey of (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is WLJRSPZEWYZFIZ-UFIUYGHPSA-N. The full InChI is InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-8-13(12-4-2-3-5-15(12)17)14-7-6-11(18)10-16(14)19;/h2-7,10,13,17,20H,8-9H2,1H3;1H/t13-,17-;/m1./s1.
What are the key properties of (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 342.70 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 13408732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).